UCSF

ZINC43531789

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.22 3.82 -37.14 0 4 -1 61 346.613 3
Lo Low (pH 4.5-6) 3.22 3.75 -7.23 1 4 0 59 347.621 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )